1-(4-acetylpiperazin-1-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanone

C14H22N6O2S — CID 24677824

IUPAC1-(4-acetylpiperazin-1-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanone
SMILESCC(=O)N1CCN(C(=O)CSc2nnnn2C2CCCC2)CC1
InChIInChI=1S/C14H22N6O2S/c1-11(21)18-6-8-19(9-7-18)13(22)10-23-14-15-16-17-20(14)12-4-2-3-5-12/h12H,2-10H2,1H3
InChIKeyNXPFQAPVEBBIDO-UHFFFAOYSA-N
MW338.44 g/mol
LogP0.57
Rot. Bonds4

About 1-(4-acetylpiperazin-1-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanone

1-(4-acetylpiperazin-1-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanone (PubChem CID 24677824) has the molecular formula C14H22N6O2S and a molecular weight of 338.44 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanone
PubChem CID24677824
Molecular FormulaC14H22N6O2S
Molecular Weight338.44 g/mol
Exact Mass338.15
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanone
SMILESCC(=O)N1CCN(C(=O)CSc2nnnn2C2CCCC2)CC1
InChIInChI=1S/C14H22N6O2S/c1-11(21)18-6-8-19(9-7-18)13(22)10-23-14-15-16-17-20(14)12-4-2-3-5-12/h12H,2-10H2,1H3
InChIKeyNXPFQAPVEBBIDO-UHFFFAOYSA-N
XLogP0.57
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanone (CID 24677824) is 1-(4-acetylpiperazin-1-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanone is CC(=O)N1CCN(C(=O)CSc2nnnn2C2CCCC2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanone?
The InChIKey is NXPFQAPVEBBIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2S/c1-11(21)18-6-8-19(9-7-18)13(22)10-23-14-15-16-17-20(14)12-4-2-3-5-12/h12H,2-10H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanone?
1-(4-acetylpiperazin-1-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanone has a molecular weight of 338.44 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylethanone is sourced from PubChem (CID 24677824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).